3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide

C13H17N3O3 — CID 39965362

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C13H17N3O3/c1-8-10(5-6-12(17)16(3)19-4)9(2)15-13(18)11(8)7-14/h5-6H2,1-4H3,(H,15,18)
InChIKeyJHYDVKHTWNODCM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.82
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide (PubChem CID 39965362) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide
PubChem CID39965362
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C13H17N3O3/c1-8-10(5-6-12(17)16(3)19-4)9(2)15-13(18)11(8)7-14/h5-6H2,1-4H3,(H,15,18)
InChIKeyJHYDVKHTWNODCM-UHFFFAOYSA-N
XLogP0.82
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide (CID 39965362) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide?
The InChIKey is JHYDVKHTWNODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-10(5-6-12(17)16(3)19-4)9(2)15-13(18)11(8)7-14/h5-6H2,1-4H3,(H,15,18).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 39965362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).